chempirical

Diclofop-methyl

C16H14Cl2O4CAS 51338-27-3341.18 g/mol

Open in Covalent MOL file
OOOOClCl
Aryl halideEsterEther

Properties

Molecular formula
C16H14Cl2O4
Molar mass
341.18 g/mol
Exact mass
340.0269 Da
Melting point
39–41 °C
Boiling point
175–177 °C (at 0.1 Torr)
logP
4.73Crippen estimate
Polar surface area
44.8 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
5

Identifiers

CAS number
51338-27-3
SMILES
COC(=O)C(C)Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1
InChIKey
BACHBFVBHLGWSL-UHFFFAOYSA-N
InChI
InChI=1S/C16H14Cl2O4/c1-10(16(19)20-2)21-12-4-6-13(7-5-12)22-15-8-3-11(17)9-14(15)18/h3-10H,1-2H3

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Names and synonyms

14 names · show all
  • Propanoic acid, 2-[4-(2,4-dichlorophenoxy)phenoxy]-, methyl ester
  • HOE 23408
  • Dichlorfop-methyl
  • Dichlofop-methyl
  • Illoxan
  • Hoelon
  • Hoegrass
  • Methyl 2[4-(2,4-dichlorophenoxy)phenoxy]propionate
  • Diclofop methyl ester
  • Methyl diclofop
  • (±)-Diclofop-methyl
  • Methyldichlofop
  • Avenoxan
  • Iloxan

Work with Diclofop-methyl

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Haloxyfop-P-methyl72619-32-053 % similar Methyl (2R)-2-(4-hydroxyphenoxy)propanoate96562-58-252 % similar Dichlorprop120-36-551 % similar 4-(2,4-Dichlorophenoxy)aniline14861-17-749 % similar Bifenox42576-02-348 % similar Clofop26129-32-847 % similar Quizalofop-P-ethyl100646-51-347 % similar Fenoxaprop P-ethyl71283-80-247 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook